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115621-87-9 | Imidazo[2,1-a]isoquinoline, 5-(1,3-benzodioxol-5-yl)-2,3-dihydro-
CAS No: 115621-87-9 Catalog No: AG000G91 MDL No:
Product Description
Catalog Number:
AG000G91
Chemical Name:
Imidazo[2,1-a]isoquinoline, 5-(1,3-benzodioxol-5-yl)-2,3-dihydro-
CAS Number:
115621-87-9
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
IUPAC Name:
5-(1,3-benzodioxol-5-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
InChI:
InChI=1S/C18H14N2O2/c1-2-4-14-12(3-1)9-15(20-8-7-19-18(14)20)13-5-6-16-17(10-13)22-11-21-16/h1-6,9-10H,7-8,11H2
InChI Key:
XRENMKVJOCRUCC-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)cc(cc2)c1cc2ccccc2c2=NCCn12
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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